⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL64656 | 0.86 | — | — | |
| SCHEMBL6195802 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL1332734 | 0.82 | — | — | |
| Bromide SCHEMBL27962445 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL230124 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL1331136 | 0.82 | — | — | |
| Bicarbonate SCHEMBL1147215 | 0.80 | — | — | |
| Methyl Carbamate SCHEMBL28066680 | 0.80 | ALDH1A1 (0.39) | — | |
| Bicarbonate SCHEMBL27808397 | 0.80 | ALDH1A1 (0.39) | — | |
| Bromide SCHEMBL27962442 | 0.79 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108047094-A | A kind of O- methyl-isoureas Methylsulfate novel preparation method | 湖北远大富驰医药化工股份有限公司 | 2018-05-18 | — | — | CN | disclosed |